8XHU
Crystal structure of Helicobacter pylori IspDF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 145.266, 145.266, 138.907 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.900 - 2.400 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.930 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.102 | 0.038 | 1.353 |
| Rmeas | 0.105 | 0.039 | 1.394 |
| Rpim | 0.023 | 0.009 | 0.329 |
| Total number of observations | 1320110 | ||
| Number of reflections | 66724 | 3551 | 3278 |
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 19.8 | 18.8 | 17.2 |
| CC(1/2) | 1.000 | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 0.5 M ammonium sulfate, 1.0 M lithium sufate, 0.1 M sodium citrate tribasic dihydrate (pH 5.6) |
